G348-0606 Screening compound: ethyl 2-({2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

G348-0606 Screening compound: ethyl 2-({2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate
G348-0606 Screening compound: ethyl 2-({2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G348-0606
ethyl 2-({2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G348-0606

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

ethyl 2-({2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

IUPAC name

ethyl 2-(2-{6-[(2-methylphenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(CCCN1Cc2c(C)cccc2)S1(=O)=O)=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)19-11-6-7-12-20(19)23-21(26)16-25-14-8-13-24(31(25,28)29)15-18-10-5-4-9-17(18)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26)

InChI Key

QZZAQMFDWMTENJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.55

Polar Surface Area

79.584

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G348-0606 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G348-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G348-0606?
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What is the minimum amount of G348-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G348-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G348-0606
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G348-0606 available by request